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wilfonbaBenjamin Wilfonghenryleberre
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Add Surface Tension (#387)
Co-authored-by: wilfonba <bwilfong3@gatech.edu> Co-authored-by: Benjamin Wilfong <bwilfong@dt-login01.delta.ncsa.illinois.edu> Co-authored-by: Henry LE BERRE <hberre3@gatech.edu>
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‎.gitignore

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@@ -52,6 +52,8 @@ examples/*/*.err
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examples/*/viz/
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examples/*.jpg
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examples/*.png
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examples/*/workloads/
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workloads/
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benchmarks/*batch/*/
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benchmarks/*/D/*

‎docs/documentation/case.md

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@@ -321,8 +321,9 @@ Additional details on this specification can be found in [The Naca Airfoil Serie
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| `cv` ** | Real | Sffened-gas parameter $c_v$ of fluid. |
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| `qv` ** | Real | Stiffened-gas parameter $q$ of fluid. |
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| `qvp` ** | Real | Stiffened-gas parameter $q'$ of fluid. |
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| `sigma` | Real | Surface tension coefficient |
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Fluid material's parameters. All parameters should be prepended with `fluid_pp(i)` where $i$ is the fluid index.
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Fluid material's parameters. All parameters except for sigma should be prepended with `fluid_pp(i)` where $i$ is the fluid index.
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*: Parameters that work only with `model_eqns`=2.
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‎examples/2D_laplace_pressure_jump/case.py

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#!/usr/bin/env python3
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# This case file demonstrates the Laplace pressure jump of a water droplet in air. The laplace pressure jump
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# in 2D is given by delta = sigma / r where delta is the pressure jump, sigma is the surface tension coefficient,
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# and r is the radius of the droplet. The results of this simulation agree with theory to well within 1%
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# relative error.
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import math
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import json
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l = 0.375
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# Numerical setup
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r0 = 0.15
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x0 = 0
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x1 = l
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y0 = 0
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y1 = l
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Nx = 49
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Ny = 49
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eps = 1e-9
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mydt = 5e-6
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#Configuration case dictionary
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data = {
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# Logistics =============================
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#'case_dir' : '\'.\'',
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'run_time_info' : 'T',
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# =======================================
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# Computational Domain ==================
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'x_domain%beg' : x0,
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'x_domain%end' : x1,
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'y_domain%beg' : y0,
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'y_domain%end' : y1,
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'm' : Nx,
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'n' : Ny,
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'p' : 0,
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'cyl_coord' : 'F',
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'dt' : mydt,
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't_step_start' : 0,
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't_step_stop' : 100000,
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't_step_save' : 1000,
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#'t_step_stop' : 100,
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#'t_step_save' : 100,
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# =======================================
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# Simulation Algorithm ==================
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'model_eqns' : 3,
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'alt_soundspeed' : 'F',
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'adv_alphan' : 'T',
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'mixture_err' : 'T',
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'mpp_lim' : 'F',
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'time_stepper' : 3,
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#'recon_type' : 1,
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#'muscl_order' : 2,
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#'muscl_lim' : 2,
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'weno_order' : 5,
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'avg_state' : 2,
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'weno_eps' : 1e-16,
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'mapped_weno' : 'T',
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'null_weights' : 'F',
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'mp_weno' : 'T',
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'weno_Re_flux' : 'F',
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'riemann_solver' : 2,
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'wave_speeds' : 1,
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'bc_x%beg' : -2,
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'bc_x%end' : -3,
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'bc_y%beg' : -2,
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'bc_y%end' : -3,
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'num_patches' : 2,
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'num_fluids' : 2,
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'weno_avg' : 'T',
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# =======================================
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# Database Structure Parameters =========
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'format' : 1,
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'precision' : 2,
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'prim_vars_wrt' : 'T',
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'cons_vars_wrt' : 'T',
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'cf_wrt' : 'T',
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'parallel_io' : 'T',
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# =======================================
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'sigma' : 8,
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#'flux_lim' : 2,
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#'flux_wrt(1)' : 'T',
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#'flux_wrt(2)' : 'T',
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#'cf_grad_wrt' : 'T',
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# Fluid Parameters (Water) ==============
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'fluid_pp(1)%gamma' : 1.E+00/(2.1E+00-1.E+00),
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'fluid_pp(1)%pi_inf' : 2.1E+00*1.E+06/(2.1E+00-1.E+00),
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#'fluid_pp(1)%Re(1)' : 1.e3,
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# =======================================
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# Fluid Parameters (Gas) ================
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'fluid_pp(2)%gamma' : 1.E+00/(1.4E+00-1.E+00),
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'fluid_pp(2)%pi_inf' : 0.E+00,
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#'fluid_pp(2)%Re(1)' : 1.81e5,
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# =======================================
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# Air Patch ==========================
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'patch_icpp(1)%geometry' : 3,
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'patch_icpp(1)%x_centroid' : 0,
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'patch_icpp(1)%y_centroid' : 0,
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'patch_icpp(1)%length_x' : 2,
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'patch_icpp(1)%length_y' : 2,
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'patch_icpp(1)%vel(1)' : 0.0,
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'patch_icpp(1)%vel(2)' : 0.0,
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'patch_icpp(1)%vel(3)' : 0.0,
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'patch_icpp(1)%pres' : 100000,
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'patch_icpp(1)%alpha_rho(1)': eps*1000,
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'patch_icpp(1)%alpha_rho(2)': (1-eps)*1,
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'patch_icpp(1)%alpha(1)' : eps,
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'patch_icpp(1)%alpha(2)' : 1-eps,
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'patch_icpp(1)%cf_val' : 0,
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# ======================================
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# Water Patch ========================
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'patch_icpp(2)%alter_patch(1)' : 'T',
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'patch_icpp(2)%smoothen' : 'T',
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'patch_icpp(2)%smooth_patch_id': 1,
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'patch_icpp(2)%smooth_coeff': 0.95,
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'patch_icpp(2)%geometry' : 2,
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'patch_icpp(2)%x_centroid' : 0,
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'patch_icpp(2)%y_centroid' : 0,
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'patch_icpp(2)%radius' : r0,
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'patch_icpp(2)%vel(1)' : 0.,
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'patch_icpp(2)%vel(2)' : 0.,
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'patch_icpp(2)%pres' : 100000,
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'patch_icpp(2)%alpha_rho(1)': (1-eps)*1000,
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'patch_icpp(2)%alpha_rho(2)': eps*1,
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'patch_icpp(2)%alpha(1)' : (1-eps),
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'patch_icpp(2)%alpha(2)' : eps,
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'patch_icpp(2)%cf_val' : 1,
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# ======================================
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}
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print(json.dumps(data))

‎examples/3D_recovering_sphere/case.py

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#!/usr/bin/env python3
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# This simulation shows the early stages of a cubic droplet recovering a spherical shape due to capillary
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# forces. While the relaxation is not complete, it demonstrates the expecteed symmetric behavior.
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import math
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import json
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l = 0.375
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# Numerical setup
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r0 = 0.15
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x0 = 0
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x1 = l
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y0 = 0
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y1 = l
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z0 = 0
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z1 = l
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Nx = 199
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Ny = 199
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Nz = 199
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eps = 1e-9
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mydt = 1e-6
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#Configuration case dictionary
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data = {
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# Logistics =============================
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#'case_dir' : '\'.\'',
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'run_time_info' : 'T',
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# =======================================
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# Computational Domain ==================
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'x_domain%beg' : x0,
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'x_domain%end' : x1,
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'y_domain%beg' : y0,
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'y_domain%end' : y1,
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'z_domain%beg' : z0,
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'z_domain%end' : z1,
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'm' : Nx,
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'n' : Ny,
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'p' : Nz,
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'cyl_coord' : 'F',
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'dt' : mydt,
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't_step_start' : 400000,
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't_step_stop' : 1000000,
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't_step_save' : 2000,
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#'t_step_stop' : 100,
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#'t_step_save' : 100,
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# =======================================
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# Simulation Algorithm ==================
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'model_eqns' : 3,
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'alt_soundspeed' : 'F',
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'adv_alphan' : 'T',
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'mixture_err' : 'T',
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'mpp_lim' : 'F',
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'time_stepper' : 3,
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'weno_order' : 3,
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'avg_state' : 2,
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'weno_eps' : 1e-16,
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'mapped_weno' : 'T',
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'null_weights' : 'F',
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'mp_weno' : 'F',
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'weno_Re_flux' : 'F',
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'riemann_solver' : 2,
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'wave_speeds' : 1,
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'bc_x%beg' : -2,
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'bc_x%end' : -3,
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'bc_y%beg' : -2,
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'bc_y%end' : -3,
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'bc_z%beg' : -2,
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'bc_z%end' : -3,
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'num_patches' : 2,
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'num_fluids' : 2,
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'weno_avg' : 'T',
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# =======================================
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# Database Structure Parameters =========
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'format' : 1,
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'precision' : 2,
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'alpha_wrt(1)' : 'T',
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# 'prim_vars_wrt' : 'T',
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'cf_wrt' : 'T',
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'parallel_io' : 'T',
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# =======================================
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'sigma' : 8.0,
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# Fluid Parameters (Water) ==============
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'fluid_pp(1)%gamma' : 1.E+00/(2.1E+00-1.E+00),
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'fluid_pp(1)%pi_inf' : 2.1E+00*1.E+06/(2.1E+00-1.E+00),
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#'fluid_pp(1)%Re(1)' : 1.e3,
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# =======================================
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# Fluid Parameters (Gas) ================
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'fluid_pp(2)%gamma' : 1.E+00/(1.4E+00-1.E+00),
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'fluid_pp(2)%pi_inf' : 0.E+00,
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#'fluid_pp(2)%Re(1)' : 1.81e5,
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# =======================================
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# Air Patch ==========================
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'patch_icpp(1)%geometry' : 9,
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'patch_icpp(1)%x_centroid' : 0,
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'patch_icpp(1)%y_centroid' : 0,
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'patch_icpp(1)%z_centroid' : 0,
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'patch_icpp(1)%length_x' : 2,
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'patch_icpp(1)%length_y' : 2,
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'patch_icpp(1)%length_z' : 2,
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'patch_icpp(1)%vel(1)' : 0.0,
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'patch_icpp(1)%vel(2)' : 0.0,
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'patch_icpp(1)%vel(3)' : 0.0,
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'patch_icpp(1)%pres' : 100000,
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'patch_icpp(1)%alpha_rho(1)': eps*1000,
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'patch_icpp(1)%alpha_rho(2)': (1-eps)*1,
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'patch_icpp(1)%alpha(1)' : eps,
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'patch_icpp(1)%alpha(2)' : 1-eps,
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'patch_icpp(1)%cf_val' : 0,
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# ======================================
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# Water Patch ========================
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'patch_icpp(2)%alter_patch(1)' : 'T',
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'patch_icpp(2)%geometry' : 9,
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'patch_icpp(2)%x_centroid' : 0,
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'patch_icpp(2)%y_centroid' : 0,
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'patch_icpp(2)%z_centroid' : 0,
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'patch_icpp(2)%length_x' : r0,
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'patch_icpp(2)%length_y' : r0,
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'patch_icpp(2)%length_z' : r0,
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'patch_icpp(2)%vel(1)' : 0.,
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'patch_icpp(2)%vel(2)' : 0.,
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'patch_icpp(2)%vel(3)' : 0.,
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'patch_icpp(2)%pres' : 100000,
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'patch_icpp(2)%alpha_rho(1)': (1-eps)*1000,
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'patch_icpp(2)%alpha_rho(2)': eps*1,
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'patch_icpp(2)%alpha(1)' : (1-eps),
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'patch_icpp(2)%alpha(2)' : eps,
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'patch_icpp(2)%cf_val' : 1,
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# ======================================
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}
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print(json.dumps(data))

‎src/common/m_constants.fpp

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integer, parameter :: num_patches_max = 10
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integer, parameter :: pathlen_max = 400
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integer, parameter :: nnode = 4 !< Number of QBMM nodes
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real(kind(0d0)), parameter :: capillary_cutoff = 1e-6 !< color function gradient magnitude at which to apply the surface tension fluxes
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end module m_constants

‎src/common/m_derived_types.fpp

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integer :: hcid
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!! id for hard coded initial condition
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real(kind(0d0)) :: cf_val !! color function value
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end type ic_patch_parameters
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type ib_patch_parameters

‎src/common/m_variables_conversion.fpp

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qK_prim_vf(i)%sf(j, k, l) = qK_cons_vf(i)%sf(j, k, l)
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end do
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if (sigma /= dflt_real) then
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qK_prim_vf(c_idx)%sf(j, k, l) = qK_cons_vf(c_idx)%sf(j, k, l)
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end if
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end do
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end do
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end do
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end if
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end do
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end if
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if (sigma /= dflt_real) then
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q_cons_vf(c_idx)%sf(j, k, l) = q_prim_vf(c_idx)%sf(j, k, l)
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end if
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end do
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end do
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end do

‎src/post_process/m_checker.f90

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end if
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end if
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! Constraints on the surface tension model
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if (sigma /= dflt_real .and. sigma < 0d0) then
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call s_mpi_abort('The surface tension coefficient must be'// &
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'greater than or equal to zero. Exiting ...')
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elseif (sigma /= dflt_real .and. model_eqns /= 3) then
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call s_mpi_abort("The surface tension model requires"// &
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'model_eqns=3. Exiting ...')
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elseif (sigma == dflt_real .and. cf_wrt) then
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call s_mpi_abort('cf_wrt can only be anabled if the surface'// &
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'coefficient is set')
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end if
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end subroutine s_check_inputs
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end module m_checker

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